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Substance Name: Indium In 111 pentetreotide [USAN:USP]
RN: 139096-04-1
UNII: M312JJ6Z32
InChIKey: ZKZPXKKVDJOAIS-JWFOFJTQSA-J

Classification Codes

  • Diagnostic Aid
  • Diagnostic Aid (Radionuclide Cisternography)
  • Radioactive Agent
  • Radionuclide Cisternography

Molecular Formula

  • C63-H83-In-N13-O19-S2.H

Molecular Weight

  • 1472.511
 
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Names and Synonyms

Name of Substance

  • Indium In 111 pentetreotide [USAN:USP]

Synonyms

  • 111In-Pentetreotide
  • Indate (1-)-(sup 111)In,(N-(2-((2-(bis(carboxymethyl)amino)ethyl)(carboxymethyl)amino)ethyl)-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (3-8)-disulfidato(4-))-, hydrogen, (R-(R*,R*))-
  • Indium In 111 pentetreotide
  • Indium In 111 Pentreotide
  • MP 1727
  • MP-1727
  • N-(2-((2-Bis(carboxymethyl)amino)ethyl)(carboxymethyl)amino)ethyl)-N-(carboxymethyl)glycyl-D-phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide, cyclic (3-8)-disulfide, ((sup 111)In)chelate
  • OctreoScan
  • Octreoscan 111
  • UNII-M312JJ6Z32

Registry Numbers

CAS Registry Number

  • 139096-04-1

FDA UNII

  • M312JJ6Z32

Other Registry Number

  • 333967-85-4

System Generated Number

  • 0139096041

Structure Descriptors

InChI

1S/C62H84N12O19S2.In/c1-35(76)47(32-75)69-59(88)49-34-95-94-33-48(70-55(84)44(25-37-13-5-3-6-14-37)65-50(78)29-74(31-52(81)82)24-23-73(30-51(79)80)22-20-41(61(90)91)62(92)93)58(87)67-45(26-38-15-7-4-8-16-38)56(85)68-46(27-39-28-64-42-18-10-9-17-40(39)42)57(86)66-43(19-11-12-21-63)54(83)72-53(36(2)77)60(89)71-49;/h3-10,13-18,28,35-36,41,43-49,53,64,75-77H,11-12,19-27,29-34,63H2,1-2H3,(H,65,78)(H,66,86)(H,67,87)(H,68,85)(H,69,88)(H,70,84)(H,71,89)(H,72,83)(H,79,80)(H,81,82)(H,90,91)(H,92,93);/q;+3/p-4/i;1-4

InChIKey

ZKZPXKKVDJOAIS-JWFOFJTQSA-J

Smiles

CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)Cc2c[nH]c3c2cccc3)Cc4ccccc4)NC(=O)C(Cc5ccccc5)NC(=O)CN(CCN(CCC(C(=O)[O-])C(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)NC(CO)C(C)O)O.[111In+3]